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This commit is contained in:
Dave Goodwin 2006-04-23 06:02:35 +00:00
parent 57ae234440
commit c48da0d14f
11 changed files with 54 additions and 42 deletions
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6
Cantera/python/Cantera/SurfacePhase.py
View file

@ -42,4 +42,8 @@ class SurfacePhase(ThermoPhase):
return _cantera.surf_getconcentrations(self._phase_id)
class EdgePhase(SurfacePhase):
"""A one-dimensonal edge."""
def __init__(self, xml_phase=None, index=-1):
SurfacePhase.__init__(self, xml_phase=xml_phase, index=index)

9
Cantera/python/Cantera/importFromFile.py
View file

@ -5,6 +5,7 @@ application programs."""
import solution
import Interface
import Edge
import XML
__revision__ = "$Id$"
@ -52,4 +53,12 @@ def importInterface(file, name = '', phases = []):
else:
src = file
return Interface.Interface(src = src, phases = phases)
def importEdge(file, name = '', surfaces = []):
if name:
src = file+'#'+name
else:
src = file
return Edge.Edge(src = src, surfaces = surfaces)

9
Cantera/src/EdgeKinetics.cpp
View file

@ -29,15 +29,10 @@ namespace Cantera {
/**
* Construct an empty EdgeKinetics reaction mechanism.
* @param thermo This is an optional parameter that may be
* used to initialize the inherited Kinetics class with
* one ThermoPhase class object -> in other words it's
* useful for initialization of homogeneous kinetics
* mechanisms.
*/
EdgeKinetics::
EdgeKinetics(thermo_t* thermo) :
Kinetics(thermo),
EdgeKinetics() :
Kinetics(),
m_kk(0),
m_redo_rates(false),
m_nirrev(0),

8
Cantera/src/EdgeKinetics.h
View file

@ -63,14 +63,8 @@ namespace Cantera {
/**
* Constructor
*
* @param thermo The optional parameter may be used to initialize
* the object with one ThermoPhase object.
* HKM Note -> Since the interface kinetics
* object will probably require multiple thermophase
* objects, this is probably not a good idea
* to have this parameter.
*/
EdgeKinetics(thermo_t* thermo = 0);
EdgeKinetics();
/// Destructor.
virtual ~EdgeKinetics();

2
Cantera/src/Kinetics.cpp
View file

@ -26,6 +26,7 @@ namespace Cantera {
m_index(-1), m_surfphase(-1), m_rxnphase(-1),
m_mindim(4) {}
/*
Kinetics::Kinetics(thermo_t* thermo) :
m_ii(0),
m_index(-1),
@ -38,6 +39,7 @@ namespace Cantera {
deprecatedMethod("Kinetics","Kinetics(thermo_t*)","Kinetics()");
removeAtVersion("Kinetics(thermo_t*)","1.6.0");
}
*/
Kinetics::~Kinetics(){}

2
Cantera/src/Kinetics.h
View file

@ -137,7 +137,7 @@ namespace Cantera {
/// This constructor initializes with a starting phase.
/// @deprecated
Kinetics(thermo_t* thermo);
// Kinetics(thermo_t* thermo);
/// Destructor.
virtual ~Kinetics();

2
Cantera/src/State.cpp
View file

@ -19,9 +19,11 @@
#include "ctexceptions.h"
#include "stringUtils.h"
#include "State.h"
#ifdef DARWIN
#include <Accelerate.h>
#endif
namespace Cantera {
State::State() : m_kk(0), m_temp(0.0), m_dens(0.001), m_mmw(0.0) {}

43
Cantera/src/State.h
View file

@ -2,7 +2,7 @@
*
* @file State.h
*
* This file implements class State.
* This is the header file for class State.
*/
/*
@ -25,7 +25,7 @@ namespace Cantera {
/**
* Manages the independent variables of temperature, mass density,
* and mass/mole species fraction that define the thermodynamic
* and species mass/mole fraction that define the thermodynamic
* state. Class State stores just enough information about a
* multicomponent solution to specify its intensive thermodynamic
* state. It stores values for the temperature, mass density, and
@ -70,6 +70,7 @@ namespace Cantera {
/// @name Species Information
///
/// The only thing class State knows about the species is their
/// molecular weights.
//@{
@ -83,7 +84,6 @@ namespace Cantera {
/// @name Composition
//@{
/**
* Get the species mole fractions.
* @param x On return, x contains the mole fractions. Must have a
@ -93,7 +93,9 @@ namespace Cantera {
/// The mole fraction of species k. If k is ouside the valid
/// range, an exception will be thrown.
/// range, an exception will be thrown. Note that it is
/// somewhat more efficent to call getMoleFractions if the
/// mole fractions of all species are desired.
doublereal moleFraction(int k) const;
/**
@ -118,12 +120,14 @@ namespace Cantera {
* Get the species mass fractions.
* @param y On return, y
* contains the mass fractions. Array \a y must have a length
* greater than or equal to the number of species.
* greater than or equal to the number of species.
*/
void getMassFractions(doublereal* y) const;
/// Mass fraction of species k. If k is outside the valid
/// range, an exception will be thrown.
/// range, an exception will be thrown. Note that it is
/// somewhat more efficent to call getMassFractions if the
/// mass fractions of all species are desired.
doublereal massFraction(int k) const;
/**
@ -137,15 +141,18 @@ namespace Cantera {
/**
* Set the mass fractions to the specified values without
* normalizing.
* normalizing. This is useful when the normalization
* condition is being handled by some other means, for example
* by a constraint equation as part of a larger set of
* equations.
*/
void setMassFractions_NoNorm(const doublereal* y);
/**
* Get the species concentrations (kmol/m^3).
* @param c On return, \a c contains the concentrations.
* Array \a c must have a length greater than or equal to
* the number of species.
* Get the species concentrations (kmol/m^3). @param c On
* return, \a c contains the concentrations for all species.
* Array \a c must have a length greater than or equal to the
* number of species.
*/
void getConcentrations(doublereal* c) const;
@ -163,16 +170,17 @@ namespace Cantera {
void setConcentrations(const doublereal* c);
/**
* Returns a pointer to the start of the massFraction array
* Returns a read-only pointer to the start of the
* massFraction array
*/
const doublereal* massFractions() const { return m_y.begin(); }
/**
* Returns a pointer to the start of the moleFraction/MW array.
* This array is the array of mole fractions, each divided by
* the mean molecular weight.
* Returns a read-only pointer to the start of the
* moleFraction/MW array. This array is the array of mole
* fractions, each divided by the mean molecular weight.
*/
const doublereal* moleFractdivMMW() const { return m_ym.begin();}
const doublereal* moleFractdivMMW() const { return m_ym.begin();}
//@}
@ -279,7 +287,7 @@ namespace Cantera {
doublereal m_temp;
/**
* Density -> this is an independent variable except in
* Density. This is an independent variable except in
* the incompressible degenerate case. Thus,
* the pressure is determined from this variable
* not the other way round.
@ -291,7 +299,6 @@ namespace Cantera {
* m_mmw is the mean molecular weight of the mixture
* (kg kmol-1)
*/
doublereal m_mmw;
/**

5
Cantera/src/oneD/Makefile.in
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@ -18,9 +18,8 @@ CXX_FLAGS = @CXXFLAGS@ $(CXX_OPT)
CXX_INCLUDES = -I.. @CXX_INCLUDES@
# stirred reactors
OBJS = oneD_files.o
#MultiJac.o MultiNewton.o newton_utils.o OneDim.o\
# StFlow.o boundaries1D.o refine.o Sim1D.o
OBJS = MultiJac.o MultiNewton.o newton_utils.o OneDim.o\
StFlow.o boundaries1D.o refine.o Sim1D.o
ONED_H = Inlet1D.h MultiJac.h Sim1D.h StFlow.h \
Surf1D.h Domain1D.h MultiNewton.h OneDim.h \
Resid1D.h Solid1D.h refine.h

5
Cantera/src/transport/Makefile.in
View file

@ -18,9 +18,8 @@ do_ranlib = @DO_RANLIB@
CXX_FLAGS = @CXXFLAGS@ $(CXX_OPT)
# Transport Object Files
OBJS = transport_files.o
#TransportFactory.o MultiTransport.o MixTransport.o MMCollisionInt.o \
# SolidTransport.o DustyGasTransport.o
OBJS = TransportFactory.o MultiTransport.o MixTransport.o MMCollisionInt.o \
SolidTransport.o DustyGasTransport.o
TRAN_H = TransportFactory.h MultiTransport.h MixTransport.h \
MMCollisionInt.h SolidTransport.h DustyGasTransport.h \
TransportBase.h L_matrix.h FtnTransport.h TransportParams.h

5
ext/f2c_libs/arith.h
View file

@ -1,3 +1,4 @@
#define IEEE_8087
#define Arith_Kind_ASL 1
#define IEEE_MC68k
#define Arith_Kind_ASL 2
#define Double_Align
#define NANCHECK